UCSF

ZINC02490894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 9.29 -36.18 1 4 1 30 287.383 5
Mid Mid (pH 6-8) 2.97 7.08 -5.97 0 4 0 29 286.375 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )